112381-10-9

Basic information

• Product Name: 1H-Pyrrole-2-carbonitrile, 4-acetyl-3-methyl- (9CI)
• Synonyms: 1H-Pyrrole-2-carbonitrile, 4-acetyl-3-methyl- (9CI)
• CAS NO: 112381-10-9
• Molecular Formula: C8H8N2O
• Molecular Weight: 148.16192
• Product Categories: ACETYLGROUP
• Mol File: 112381-10-9.mol
• Article Data: 2

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1H-Pyrrole-2-carbonitrile, 4-acetyl-3-methyl- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Pyrrole-2-carbonitrile, 4-acetyl-3-methyl- (9CI)(112381-10-9)
• EPA Substance Registry System: 1H-Pyrrole-2-carbonitrile, 4-acetyl-3-methyl- (9CI)(112381-10-9)

Safety Data

• Hazardous Substances Data: 112381-10-9(Hazardous Substances Data)

Usage

Structure

Pyrrole derivative with a carbonitrile group at the 2-position and an acetyl-methyl group at the 4-position

Pharmacological and biological activities

Potential as an anti-inflammatory and anti-cancer agent

Importance in medicinal chemistry

Promising candidate for further research and development

Upstream product

• 18818-30-9 3-acetyl-4-methylpyrrole 
• 75-05-8 acetonitrile 
• 625-33-2 3-penten-2-one 
• 18856-72-9 3-dimethylaminomethylenepentane-2,4-dione 

Relevant articles and documents

Unusually Facile Thermal Homodienyl-[1,5]-Hydrogen Shift Reactions in Photochemically Generated Vinyl Aziridines

A range of photochemically generated tri- and tetracyclic vinyl aziridines have been found to undergo a general and surprisingly low temperature ring opening through a [1,5]-hydrogen shift reaction. The rate of the process was found to be highly dependent on the structure and substitution around the azirdine ring and the alkene terminus, with some substrates being observed to undergo ring opening at temperatures as low as 25 °C. The rigid nature of these polycyclic systems precludes a conformational explanation of these rate differences, and an Eyring study confirmed a negligible entropic barrier to the reaction. However, the Eyring plots for two different aziridines systems showed a significant difference in their enthalpies of activation. It is therefore believed that the levels of aziridine ring strain, as well as electronic effects, are the dominant factors in this sequence.